N-[2-[[6-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[2-[[6-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[2-[[6-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxo-ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[2-[[6-(dimethylamino)-3-pyridin-1-iumyl]methylamino]-2-oxoethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[[6-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[2-[[6-(dimethylamino)pyridin-1-ium-3-yl]methylamino]-2-keto-ethyl]-4-(2-ketopyrrolidino)benzamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C=C(C=C1)CNC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CN(C)C1=[NH+]C=C(C=C1)CNC(=O)CNC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H25N5O3/c1-25(2)18-10-5-15(12-22-18)13-23-19(27)14-24-21(29)16-6-8-17(9-7-16)26-11-3-4-20(26)28/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,23,27)(H,24,29)/p+1